Rb2NiF4
Rb2NiF4 is a stable, insulating crystalline fluoride compound used primarily in foundational materials science research.
About Rb2NiF4
Rb2NiF4 is a thermodynamically stable fluoride compound that sits on the convex hull, indicating significant structural robustness. As a wide-band-gap insulator, it exhibits electronic characteristics typical of stable ionic fluoride lattices.
This material is of interest for fundamental solid-state studies due to its well-defined crystalline nature. Its stability makes it a reliable subject for researchers investigating the interplay between transition metal centers and alkali metal fluoride frameworks.
Key Properties
Cross-validated computational properties for Rb2NiF4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Rb2NiF4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 3.73 | 0.0000 | -4.910 | 4.46 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.23 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.43 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.43 |
Applications
Where Rb2NiF4 is used.
Frequently Asked Questions
Common questions about Rb2NiF4, answered from cross-validated data.
What is Rb2NiF4?
Rb2NiF4 is a stable, insulating crystalline fluoride compound used primarily in foundational materials science research.
What is Rb2NiF4 used for?
What is the band gap of Rb2NiF4?
Is Rb2NiF4 a metal, semiconductor, or insulator?
Is Rb2NiF4 thermodynamically stable?
What is the crystal structure of Rb2NiF4?
What is the density of Rb2NiF4?
How many polymorphs of Rb2NiF4 are known?
What elements does Rb2NiF4 contain?
Where does the data for Rb2NiF4 come from?
How It Compares
As a standalone member of its structural family, Rb2NiF4 serves as a benchmark for understanding the stability and electronic behavior of complex alkali-nickel fluorides. Its position on the convex hull establishes it as a reference point for comparing the thermodynamic favorability of similar transition metal-based halide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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